Detail publikačního výsledku
Theoretical and 15N-NMR study of some high energetic nitramines
Friedl, Z., Zeman, S.
Original Title
Theoretical and 15N-NMR study of some high energetic nitramines
English Title
Theoretical and 15N-NMR study of some high energetic nitramines
Type
Paper in proceedings (conference paper)
Original Abstract
Electronic charges q at nitrogen atoms of twenty nitramines were calculated at the ab initio B3LYP/6-31G**//HF/6-31G** level. The relationships between 15N-NMR chemical shifts of nitrogen atom in the nitro group and squares of detonation velocities or heats of explosion were confirmed.
English abstract
Electronic charges q at nitrogen atoms of twenty nitramines were calculated at the ab initio B3LYP/6-31G**//HF/6-31G** level. The relationships between 15N-NMR chemical shifts of nitrogen atom in the nitro group and squares of detonation velocities or heats of explosion were confirmed.
Keywords
electronic charges, 15N-NMR, detonation velocity, heat of explosion
Key words in English
electronic charges, 15N-NMR, detonation velocity, heat of explosion
Authors
Friedl, Z., Zeman, S.
RIV year
2011
Released
23.04.2001
Publisher
Masaryk University
Location
Brno
ISBN
80-210-2566-2
Book
Proc. Seminar 16th NMR Valtice
Pages from
10
Pages count
1
Full text in the Digital Library
BibTex
@inproceedings{BUT6422,
author="Zdeněk {Friedl} and Svatopluk {Zeman}",
title="Theoretical and 15N-NMR study of some high energetic nitramines",
booktitle="Proc. Seminar 16th NMR Valtice",
year="2001",
number="1.",
pages="1",
publisher="Masaryk University",
address="Brno",
isbn="80-210-2566-2"
}